[4-[[[(2S)-butan-2-yl]-ethanoyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-ethanoyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[acetyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[acetyl-[(2S)-butan-2-yl]amino]methyl]phenyl] ester IUPAC Name: [4-[[acetyl-[(2S)-butan-2-yl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[acetyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C19H22FNO4S MolecularWeight: 379.445683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C

InChI

InChI=1S/C19H22FNO4S/c1-4-14(2)21(15(3)22)13-16-5-9-18(10-6-16)25-26(23,24)19-11-7-17(20)8-12-19/h5-12,14H,4,13H2,1-3H3/t14-/m0/s1